1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one

C11H10BrClN2O2 — CID 75401117

IUPAC1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one
SMILESCN1CN(C(=O)c2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C11H10BrClN2O2/c1-14-6-15(5-10(14)16)11(17)8-3-2-7(12)4-9(8)13/h2-4H,5-6H2,1H3
InChIKeyLGCVLMACOIIOBI-UHFFFAOYSA-N
MW317.57 g/mol
LogP1.97
Rot. Bonds1

About 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one

1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one (PubChem CID 75401117) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one
PubChem CID75401117
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one
SMILESCN1CN(C(=O)c2ccc(Br)cc2Cl)CC1=O
InChIInChI=1S/C11H10BrClN2O2/c1-14-6-15(5-10(14)16)11(17)8-3-2-7(12)4-9(8)13/h2-4H,5-6H2,1H3
InChIKeyLGCVLMACOIIOBI-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one?
The IUPAC name of 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one (CID 75401117) is 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one is CN1CN(C(=O)c2ccc(Br)cc2Cl)CC1=O.
What is the InChIKey of 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one?
The InChIKey is LGCVLMACOIIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-14-6-15(5-10(14)16)11(17)8-3-2-7(12)4-9(8)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one?
1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one has a molecular weight of 317.57 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorobenzoyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 75401117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).